NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7812 8.2676 119.2170 53.5874 41.1331 176.0292 4 I 3.4598 7.9124 112.1673 62.7424 36.9931 174.1882 5 E 4.1603 8.9982 124.0964 58.7708 29.7959 179.8749 6 K 4.0222 8.0313 118.0605 59.2652 32.0881 179.1178 7 L 3.6757 7.4423 120.1539 57.9779 41.4715 178.6330 8 E 4.0980 8.1090 118.5304 59.5535 29.2678 179.3567 9 Q 4.0488 8.2196 118.0151 59.1912 28.5753 179.0822 10 S 4.1612 7.9008 114.8926 61.6530 62.9321 176.5125 11 L 4.1444 8.0164 120.8084 55.5000 41.4030 177.9639 12 T 3.5031 7.8990 106.6879 61.9835 67.7236 170.8120 13 Y 4.8233 7.8940 120.8156 56.6902 41.9828 173.5643 14 E 4.3825 7.9988 127.6527 54.2739 30.5747 175.6522 15 F 3.9584 8.7859 125.9357 57.4742 39.6898 175.8476 16 K 3.9298 9.4232 125.6185 59.0118 32.2467 177.0872 17 D 4.7641 8.6707 122.4211 52.4296 40.7435 176.6453 18 K 4.0322 8.5483 127.6325 59.4381 32.0224 178.8439 19 N 4.4262 8.2267 116.5083 56.0686 38.3719 177.1597 20 L 4.0438 7.9613 122.0871 57.8056 42.1848 178.7501 21 L 3.3259 7.2076 119.8442 57.9190 41.7968 178.7480 22 I 3.6598 7.3391 118.5959 64.5538 37.3284 177.4293 23 H 4.1436 8.6840 119.2222 59.4143 29.4609 177.1753 24 A 3.9956 7.6915 120.9264 54.6922 18.4427 178.6463 25 L 4.5177 7.7240 115.5225 54.6354 42.1056 176.5766 26 T 4.4924 7.4889 117.8051 62.0286 68.1936 173.9578 27 H 4.6424 8.7650 127.5600 55.3850 30.4822 176.5917 28 K 4.0481 8.1347 123.9438 59.4643 32.3835 178.2430 29 S 4.3372 7.8685 113.1938 60.4591 63.6165 175.3107 30 F 4.5038 8.3744 123.5180 60.5180 39.4603 175.5405 31 K 4.4310 7.8211 120.3741 54.3014 35.0206 174.6084 32 K 3.9862 8.6730 127.3662 58.1872 32.4054 176.2296 33 S 3.8212 9.1269 120.0785 59.2349 60.2418 170.9266 34 Y 4.5120 7.9271 121.4673 56.6608 39.8336 173.4612 35 N 4.9048 8.0290 123.5001 51.0161 40.1731 174.3677 36 N 4.6354 8.7592 114.2608 53.3378 37.3663 176.7640 37 E 3.9517 8.5692 123.3892 59.8960 29.5510 179.4013 38 R 3.9280 7.8275 117.6078 59.2835 30.2210 178.9565 39 L 4.0460 7.7962 118.3270 57.6408 41.5309 179.0089 40 E 4.0055 8.5076 119.6950 59.0631 29.4335 178.5365 41 F 4.0926 8.2886 120.7589 61.2582 39.4619 176.8515 42 L 3.9413 8.2959 119.9405 58.2087 41.8804 179.1955 43 G 3.5525 8.4982 106.0973 47.7089 0.0000 175.1508 44 D 4.9671 8.6295 121.7561 56.6763 41.1021 178.2402 45 A 3.8361 7.5425 121.4508 54.8743 18.2703 179.6719 46 V 3.5740 7.7773 116.7646 66.3804 31.5538 178.3851 47 L 4.0950 8.2602 118.9750 57.8121 41.4075 179.1377 48 D 4.3944 8.3704 119.1335 57.2585 40.6235 178.7211 49 L 3.9521 7.8151 120.6835 57.9143 42.1583 178.8499 50 V 3.7487 8.3224 118.7390 66.3859 31.3959 178.2620 51 V 3.8595 8.3143 118.1869 65.7098 31.3205 178.0769 52 G 3.7403 8.3305 105.6528 47.8684 0.0000 175.2143 53 E 3.9788 8.5931 122.3178 59.0406 29.6306 177.9495 54 Y 4.2052 8.2013 119.5671 61.0699 38.7966 178.4131 55 L 3.9397 8.4291 119.7669 57.5941 41.5164 178.9868 56 F 4.0472 8.3618 119.9645 61.8476 39.3029 176.7898 57 H 4.3353 8.2776 114.2757 58.7876 28.6949 177.4357 58 K 3.7632 7.8156 120.3324 57.7225 33.3784 176.8886 59 F 4.8626 7.7265 117.9855 55.1132 38.7068 175.5058 60 A 3.8414 8.0440 125.7265 54.0133 18.7549 178.8530 61 K 4.3694 7.7597 112.6600 56.2363 33.1077 176.3857 62 D 4.3482 7.7010 120.1968 53.7924 41.3658 176.8924 63 A 4.2434 8.3011 125.2201 51.4197 20.5356 177.9750 64 E 3.9908 8.7913 121.3447 59.6372 29.6139 179.4517 65 G 3.6328 8.0404 105.0956 47.7930 0.0000 175.3214 66 D 4.3098 7.9469 120.6314 57.1715 40.8937 178.5759 67 L 3.9989 8.0320 119.5392 57.7581 41.5373 179.5444 68 S 4.0767 8.4316 113.3513 61.4641 62.4151 176.4654 69 K 3.9554 8.0999 121.0932 59.4241 31.7803 179.4079 70 L 3.9697 8.1514 119.5361 57.6721 41.4987 179.5390 71 R 3.9773 8.3479 118.6953 59.4532 29.8359 178.3837 72 A 4.0298 8.0382 119.2974 55.1192 18.4123 179.1440 73 A 4.0019 7.8599 117.8358 53.9927 18.4428 178.6488 74 L 4.2311 7.0329 114.7934 54.7825 44.0458 177.0997 75 V 3.5391 7.7458 120.3978 61.0239 30.2310 174.6218 76 N 4.5906 6.4697 121.9184 50.1321 40.9299 174.7650 77 E 4.1224 8.4376 122.6352 58.8406 29.7207 178.9502 78 K 3.9726 8.0110 117.8370 59.6509 32.2230 179.3319 79 S 4.3553 8.5684 115.6424 61.8433 62.6880 176.9139 80 F 4.6966 8.1203 120.2774 60.4971 38.5230 177.6793 81 A 4.1181 8.6356 121.1143 54.8226 18.1475 179.5814 82 K 3.8830 8.2750 118.2096 59.8000 32.1432 179.1211 83 I 3.8859 8.0705 119.8008 64.2900 37.0527 178.1188 84 A 4.0816 8.4795 122.0077 55.5490 18.2319 179.4830 85 N 4.3586 8.5360 115.3118 56.4114 38.3580 177.7806 86 S 4.2037 8.0024 114.7684 60.5877 63.0427 175.5151 87 L 4.4969 7.3489 120.2347 53.2598 42.1719 175.7319 88 N 4.2902 8.4290 116.0957 54.0676 36.9114 176.6282 89 L 4.2878 8.2547 119.6912 57.7995 42.1172 180.2238 90 G 3.7269 8.2326 106.6723 48.6281 0.0000 174.2153 91 D 4.2756 8.0393 118.5999 55.8611 40.8625 176.9122 92 F 4.7972 7.9026 116.2004 57.4752 41.0970 176.0142 93 I 4.0781 7.7383 121.3055 61.2242 37.8589 175.4162 94 L 4.3383 8.7680 127.3829 53.3105 42.9240 175.5894 95 M 5.3433 8.1280 120.3272 53.4925 34.5744 174.8454 96 S 4.5172 8.9930 114.7283 58.0100 64.2416 175.5475 97 V 3.5743 8.6718 120.2635 66.3688 31.1499 177.9951 98 A 4.0191 8.0051 119.7875 55.1307 18.2442 179.0405 99 E 3.8885 8.3377 117.7973 59.3515 29.7651 178.6072 100 E 3.9169 8.4426 119.5467 59.5220 29.5257 178.6299 101 N 4.4631 8.4532 115.4364 55.7390 38.5355 176.0262 102 N 4.8531 7.8683 116.4568 52.8161 38.9359 175.5874 103 G 3.9023 8.1792 108.9066 45.8265 0.0000 176.2204 104 G 3.6802 8.2817 111.7226 48.2812 0.0000 176.7781 105 K 4.0245 8.0535 117.9236 58.4569 32.1362 177.2869 106 E 4.5379 7.8633 116.0756 55.7661 30.3560 176.5881 107 K 4.1780 7.9045 121.1938 55.5127 33.0758 176.0182 108 P 4.3404 0.0000 0.0000 65.6035 31.2687 178.8577 109 S 4.2780 8.0550 112.7049 61.5484 62.9506 176.5770 110 I 3.7448 7.6981 122.9516 63.9352 36.9726 178.2081 111 L 3.9923 7.9553 119.7909 57.8983 41.3793 179.5142 112 S 4.2267 8.4649 113.3465 61.5881 62.2803 175.8705 113 D 4.3769 8.4151 121.4546 57.3883 40.5068 178.6812 114 A 4.0974 8.0939 121.2475 54.9281 18.3580 179.4007 115 L 3.8306 7.9725 118.8024 58.4602 42.2071 179.0904 116 E 3.6771 8.2479 118.4071 59.2702 29.2391 179.2519 117 A 4.1364 8.2812 121.0878 55.1335 18.3235 179.7597 118 I 3.7007 7.9865 118.5350 64.6515 37.1246 178.7267 119 I 3.7714 7.8534 120.8201 64.1918 36.7895 178.6583 120 G 3.6340 8.3631 106.5945 47.8456 0.0000 175.5959 121 A 4.1384 8.4354 123.6188 54.9399 18.3943 179.8456 122 I 3.5463 8.2212 118.5799 64.5985 37.0683 177.9700 123 H 4.2202 8.4247 119.2645 59.2847 29.4574 176.8789 124 L 3.9521 8.0088 120.8470 58.3159 42.0160 178.2192 125 E 4.1837 8.2741 117.5338 57.9429 29.8043 176.7018 126 A 4.3491 8.5785 118.7131 50.9269 20.8243 176.6235 127 G 3.9495 8.1571 101.7402 44.8753 0.0000 174.6779 128 F 4.2507 8.7996 119.7667 61.4781 39.3595 176.9658 129 E 3.6372 8.1834 117.6363 59.2302 29.2696 179.0546 130 F 3.9307 8.0205 120.0157 61.0114 39.4918 176.8941 131 A 3.7122 7.8426 120.5004 54.7782 18.0706 179.4728 132 K 3.5173 7.7422 118.3743 59.9387 32.2443 179.1645 133 T 3.7110 7.4633 115.8141 66.4949 68.3757 176.7343 134 I 3.3915 7.1185 121.3966 64.1966 37.0203 178.3945 135 A 3.9035 7.9516 121.7672 55.1338 18.1982 179.6629 136 L 3.7640 8.1553 117.9660 57.8382 41.6264 179.7662 137 R 3.8747 7.8434 118.6203 59.3198 30.1290 178.6269 138 L 3.9846 7.7947 118.5955 57.7569 41.5871 179.5882 139 I 3.8989 7.9856 119.9108 64.3442 36.9812 177.8197 140 E 3.9317 8.4913 120.5745 59.6250 29.1911 179.2404 141 K 4.0856 7.8704 116.7724 59.0793 32.1616 178.4695 142 N 4.4612 7.8628 114.7425 53.4833 40.2396 175.5945 143 F 4.8854 8.1860 118.4797 55.0772 39.5901 174.1145 144 P 4.8791 0.0000 0.0000 61.8556 31.0905 177.6065 *146 I 4.0632 7.7563 124.3201 62.8965 37.4528 175.9644 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 N 8.27 4.78 0.00 2.88 3.02 0.00 0.00 6.80 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.91 3.46 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.91 0.00 0.00 5 E 9.00 4.16 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 6 K 8.03 4.02 0.00 2.11 2.02 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.54 7.81 7 L 7.44 3.68 0.00 0.27 1.22 0.72 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.11 4.10 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 9 Q 8.22 4.05 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 10 S 7.90 4.16 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.02 4.14 0.00 1.87 1.81 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.90 3.50 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 13 Y 7.89 4.82 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.00 4.38 0.00 1.80 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 15 F 8.79 3.96 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 9.42 3.93 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.49 7.81 17 D 8.67 4.76 0.00 2.74 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.55 4.03 0.00 1.81 1.83 0.00 1.76 0.00 0.00 1.97 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.49 7.81 19 N 8.23 4.43 0.00 2.97 2.96 0.00 0.00 6.58 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.96 4.04 0.00 1.90 2.00 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.21 3.33 0.00 0.27 1.27 0.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.34 3.66 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.99 0.00 0.00 23 H 8.68 4.14 0.00 3.42 3.36 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.69 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.72 4.52 0.00 1.84 1.81 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.49 4.49 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 27 H 8.76 4.64 0.00 3.15 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.13 4.05 0.00 1.86 1.86 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.00 1.34 7.81 29 S 7.87 4.34 0.00 4.12 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.37 4.50 0.00 3.13 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.82 4.43 0.00 1.71 1.77 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.66 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.33 7.81 32 K 8.67 3.99 0.00 1.73 1.72 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.55 7.81 33 S 9.13 3.82 0.00 4.12 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.93 4.51 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.03 4.90 0.00 2.89 2.78 0.00 0.00 6.29 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.76 4.64 0.00 3.00 3.22 0.00 0.00 7.44 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.57 3.95 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 38 R 7.83 3.93 0.00 1.79 1.95 0.00 3.09 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 39 L 7.80 4.05 0.00 1.75 1.85 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.51 4.01 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 41 F 8.29 4.09 0.00 3.17 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.30 3.94 0.00 1.95 1.86 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.50 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.63 4.97 0.00 2.89 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.54 3.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.78 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.88 0.00 0.00 47 L 8.26 4.10 0.00 1.77 1.83 0.40 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.37 4.39 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.82 3.95 0.00 1.61 1.81 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.32 3.75 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.96 0.00 0.00 51 V 8.31 3.86 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.02 0.00 0.00 52 G 8.33 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.59 3.98 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 54 Y 8.20 4.21 0.00 3.19 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.43 3.94 0.00 1.90 1.91 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.36 4.05 0.00 3.11 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.28 4.34 0.00 3.13 3.33 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.82 3.76 0.00 0.85 0.88 0.00 1.01 0.00 0.00 1.01 0.00 0.00 3.03 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.76 7.81 59 F 7.73 4.86 0.00 3.15 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.04 3.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.76 4.37 0.00 1.73 1.82 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 62 D 7.70 4.35 0.00 2.91 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.30 4.24 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.79 3.99 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 65 G 8.04 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.95 4.31 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.03 4.00 0.00 1.89 1.79 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.43 4.08 0.00 4.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.10 3.96 0.00 1.82 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.59 7.81 70 L 8.15 3.97 0.00 1.75 1.74 0.63 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.35 3.98 0.00 1.98 2.09 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 72 A 8.04 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.86 4.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.03 4.23 0.00 1.67 1.50 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.75 3.54 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.04 0.00 0.00 76 N 6.47 4.59 0.00 2.88 2.84 0.00 0.00 5.76 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.44 4.12 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 K 8.01 3.97 0.00 1.96 1.86 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.54 7.81 79 S 8.57 4.36 0.00 3.43 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.12 4.70 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.64 4.12 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.28 3.88 0.00 2.00 2.16 0.00 1.58 0.00 0.00 1.32 0.00 0.00 2.45 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.46 1.42 7.81 83 I 8.07 3.89 2.20 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.88 0.98 0.00 0.00 84 A 8.48 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.54 4.36 0.00 2.95 2.89 0.00 0.00 6.83 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.00 4.20 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.35 4.50 0.00 1.81 1.77 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.43 4.29 0.00 3.11 3.06 0.00 0.00 6.99 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.25 4.29 0.00 1.79 1.81 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.23 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.04 4.28 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.90 4.80 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.74 4.08 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.95 0.00 0.00 94 L 8.77 4.34 0.00 0.94 0.13 0.80 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 95 M 8.13 5.34 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 96 S 8.99 4.52 0.00 4.11 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.67 3.57 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 98 A 8.01 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.34 3.89 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 100 E 8.44 3.92 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 101 N 8.45 4.46 0.00 2.85 2.88 0.00 0.00 7.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.87 4.85 0.00 2.84 2.84 0.00 0.00 7.11 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.18 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.28 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.05 4.02 0.00 1.74 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.44 7.81 106 E 7.86 4.54 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 107 K 7.90 4.18 0.00 1.93 1.75 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.68 7.81 108 P 0.00 4.34 0.00 2.37 2.14 0.00 3.62 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 109 S 8.06 4.28 0.00 4.09 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.70 3.74 1.99 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.75 0.89 0.00 0.00 111 L 7.96 3.99 0.00 1.90 1.76 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.46 4.23 0.00 4.18 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.42 4.38 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.09 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.97 3.83 0.00 1.79 1.77 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.25 3.68 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.33 0.00 117 A 8.28 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.99 3.70 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 1.01 0.00 0.00 119 I 7.85 3.77 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 0.83 0.00 0.00 120 G 8.36 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.44 4.14 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.22 3.55 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.67 0.00 0.00 123 H 8.42 4.22 0.00 3.29 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.01 3.95 0.00 1.86 1.98 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.27 4.18 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 126 A 8.58 4.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.16 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.80 4.25 0.00 3.26 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.18 3.64 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 130 F 8.02 3.93 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.84 3.71 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.74 3.52 0.00 0.85 1.37 0.00 1.69 0.00 0.00 1.43 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.31 7.81 133 T 7.46 3.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 134 I 7.12 3.39 1.61 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.64 0.76 0.00 0.00 135 A 7.95 3.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.16 3.76 0.00 1.59 1.62 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.84 3.87 0.00 1.95 2.00 0.00 3.21 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 138 L 7.79 3.98 0.00 1.92 1.73 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.99 3.90 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.86 0.00 0.00 140 E 8.49 3.93 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 141 K 7.87 4.09 0.00 1.90 1.82 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 142 N 7.86 4.46 0.00 2.71 2.09 0.00 0.00 6.80 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.19 4.89 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.88 0.00 2.20 2.14 0.00 3.40 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 *146 I 7.76 4.06 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.